PDBsum entry 7ts3

Oxidoreductase

PDB id: 7ts3

Contents

Protein chains

420 a.a.

Ligands

HEM ×4

H4B ×4

K7U ×4

GOL ×6

Metals

_ZN ×2

Waters ×944

PDB id:

7ts3

Name:

Oxidoreductase

Title:

Structure of human neuronal nitric oxide synthase r354a/g357d mutant heme domain in complex with 6-(3-(3,3-difluoroazetidin-1-yl)prop-1- yn-1-yl)-4-methylpyridin-2-amine

Structure:

Nitric oxide synthase, brain. Chain: a, b, c, d. Synonym: constitutive nos,nc-nos,nos type i,neuronal nos,nnos, peptidyl-cysteine s-nitrosylase nos1,bnos. Engineered: yes. Mutation: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Organ: brain. Gene: nos1. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008.

Resolution:

2.10Å R-factor: 0.204 R-free: 0.253

Authors:

H.Li,T.L.Poulos

Key ref:

D.Vasu et al. (2022). 2-Aminopyridines with a shortened amino sidechain as selective, And highly permeable human neuronal nitric synthase inhibitors.. Bioorg med chem, 69, 16878. PubMed id: 35772285

Date:

31-Jan-22 Release date: 13-Jul-22

Protein chains

P29475  (NOS1_HUMAN) -  Nitric oxide synthase 1 from Homo sapiens

Seq: 1434 a.a.

Struc: 420 a.a.*

* PDB and UniProt seqs differ at 2 residue positions (black crosses)

Enzyme reactions

• Enzyme class: E.C.1.14.13.39 - nitric-oxide synthase (NADPH).
• Reaction: 2 L-arginine + 3 NADPH + 4 O2 + H⁺ = 2 L-citrulline + 2 nitric oxide + 3 NADP⁺ + 4 H2O

Molecule diagrams generated from .mol files obtained from the KEGG ftp site